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Title: Materials Data on Ce(SiAu2)2 by Materials Project

Abstract

CeAu4Si2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of four CeAu4Si2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to eight Au1- atoms to form distorted edge-sharing CeAu8 hexagonal bipyramids. There are a spread of Ce–Au bond distances ranging from 3.21–3.27 Å. There are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.48 Å. In the second Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.51 Å. In the third Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.49 Å. In the fourth Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry tomore » four Au1- and one Si atom. The Si–Si bond length is 2.32 Å. In the second Si site, Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom.« less

Publication Date:
Other Number(s):
mp-601420
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce(SiAu2)2; Au-Ce-Si
OSTI Identifier:
1272729
DOI:
10.17188/1272729

Citation Formats

The Materials Project. Materials Data on Ce(SiAu2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272729.
The Materials Project. Materials Data on Ce(SiAu2)2 by Materials Project. United States. doi:10.17188/1272729.
The Materials Project. 2020. "Materials Data on Ce(SiAu2)2 by Materials Project". United States. doi:10.17188/1272729. https://www.osti.gov/servlets/purl/1272729. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272729,
title = {Materials Data on Ce(SiAu2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeAu4Si2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of four CeAu4Si2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to eight Au1- atoms to form distorted edge-sharing CeAu8 hexagonal bipyramids. There are a spread of Ce–Au bond distances ranging from 3.21–3.27 Å. There are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.48 Å. In the second Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.51 Å. In the third Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.49 Å. In the fourth Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom. The Si–Si bond length is 2.32 Å. In the second Si site, Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom.},
doi = {10.17188/1272729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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